[6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid

C15H13N3O3 — CID 67736355

IUPAC[6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nc2ccc(Cc3ccccc3O)cc2[nH]1
InChIInChI=1S/C15H13N3O3/c19-13-4-2-1-3-10(13)7-9-5-6-11-12(8-9)17-14(16-11)18-15(20)21/h1-6,8,19H,7H2,(H,20,21)(H2,16,17,18)
InChIKeyVVKQAOMVIWMIMC-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.95
Rot. Bonds3

About [6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid

[6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid (PubChem CID 67736355) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is [6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid
PubChem CID67736355
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name[6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nc2ccc(Cc3ccccc3O)cc2[nH]1
InChIInChI=1S/C15H13N3O3/c19-13-4-2-1-3-10(13)7-9-5-6-11-12(8-9)17-14(16-11)18-15(20)21/h1-6,8,19H,7H2,(H,20,21)(H2,16,17,18)
InChIKeyVVKQAOMVIWMIMC-UHFFFAOYSA-N
XLogP2.95
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride
CID 67736317
1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea
CID 69462051
[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamic acid
CID 122583322
6-benzyl-1H-benzimidazole-2-carboxylic acid
CID 76845904
[6-[4-(phenylcarbamoylamino)phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
CID 22022416
2-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenol
CID 80740442
2-(2-ethyl-3H-benzimidazol-5-yl)-N-phenylacetamide
CID 110772765
2-[[2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetyl]amino]-3H-benzimidazole-5-carboxamide
CID 167948469
[6-[(Z)-C-(4-fluorophenyl)-N-oxidocarbonimidoyl]-1H-benzimidazol-2-yl]carbamic acid
CID 54715713
[6-[2-[(2-bromophenyl)methyl]-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
CID 67162387
[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamic acid
CID 19105251
[6-[(E)-but-2-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
CID 21328024

Frequently Asked Questions

What is the IUPAC name of [6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid?
The IUPAC name of [6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid (CID 67736355) is [6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid.
What is the SMILES notation for [6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid?
The canonical SMILES for [6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid is O=C(O)Nc1nc2ccc(Cc3ccccc3O)cc2[nH]1.
What is the InChIKey of [6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid?
The InChIKey is VVKQAOMVIWMIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-13-4-2-1-3-10(13)7-9-5-6-11-12(8-9)17-14(16-11)18-15(20)21/h1-6,8,19H,7H2,(H,20,21)(H2,16,17,18).
What are the key properties of [6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid?
[6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid has a molecular weight of 283.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid is sourced from PubChem (CID 67736355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).